1-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]piperazine-2-carboxylic acid

Systemtic Name: 1-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]piperazine-2-carboxylic acid Openeye Name: 1-[(1-carboxy-3-methyl-butyl)-(2-hydroxy-1-methyl-2-oxo-ethyl)amino]piperazine-2-carboxylic acid CAS Name: 1-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)-(1-hydroxy-1-oxopropan-2-yl)amino]-2-piperazinecarboxylic acid IUPAC Name: 1-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)-(1-hydroxy-1-oxopropan-2-yl)amino]piperazine-2-carboxylic acid Traditional Name: 1-[(1-carboxy-3-methyl-butyl)-(2-hydroxy-2-keto-1-methyl-ethyl)amino]piperazine-2-carboxylic acid Formula: C14H25N3O6 MolecularWeight: 331.3648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C(C)C(=O)O)N1CCNCC1C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(C(C)C(=O)O)N1CCNCC1C(=O)O

InChI

InChI=1S/C14H25N3O6/c1-8(2)6-10(13(20)21)17(9(3)12(18)19)16-5-4-15-7-11(16)14(22)23/h8-11,15H,4-7H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)